MolProp TK 2.1.3¶
- Adding pictures to describe OEGetXLogP and OEGet2dPSA in documentation.
- OEFilter through its dependence on Neutral pH model (OESetNeutralpHModel) has been refined to reflect feedback from collaborators. In particular isoxazoles and oxadiazoles were added while pyrazoles and aryl sulfonamides were refined. Aryl sulfonamide refinement also incorporated changes based on newly obtained experimental data.